1-(cyclopropylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one

C11H17N3O — CID 116555221

IUPAC1-(cyclopropylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
SMILESCCn1cc(CC(=O)CNC2CC2)cn1
InChIInChI=1S/C11H17N3O/c1-2-14-8-9(6-13-14)5-11(15)7-12-10-3-4-10/h6,8,10,12H,2-5,7H2,1H3
InChIKeyOWQZUNQMJREUTF-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.77
Rot. Bonds6

About 1-(cyclopropylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one

1-(cyclopropylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one (PubChem CID 116555221) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
PubChem CID116555221
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(cyclopropylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
SMILESCCn1cc(CC(=O)CNC2CC2)cn1
InChIInChI=1S/C11H17N3O/c1-2-14-8-9(6-13-14)5-11(15)7-12-10-3-4-10/h6,8,10,12H,2-5,7H2,1H3
InChIKeyOWQZUNQMJREUTF-UHFFFAOYSA-N
XLogP0.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116562677
1-(1-ethylpyrazol-4-yl)butan-2-one
CID 62126420
1-(butan-2-ylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116556301
1-(1-ethylpyrazol-4-yl)-3-methylsulfanylpropan-2-one
CID 62691716
1-(1-ethylpyrazol-4-yl)-3-(2-methoxyethylamino)propan-2-one
CID 116591662
N-[2-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethylbutyl]cyclopropanamine
CID 83139327
N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
CID 62126333
2-(1-ethylpyrazol-4-yl)-1-(thian-2-yl)ethanone
CID 80623009
1-(2-bicyclo[2.2.1]heptanyl)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 114965405
1-(1-ethylpyrazol-4-yl)-4-(oxolan-2-yl)butan-2-one
CID 114965412
1-(1-ethylpyrazol-4-yl)-4-piperidin-3-ylpentan-2-one
CID 116594471
N-[(1-ethylpyrazol-4-yl)methyl]oxan-4-amine
CID 62125824

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one?
The IUPAC name of 1-(cyclopropylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one (CID 116555221) is 1-(cyclopropylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(cyclopropylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one?
The canonical SMILES for 1-(cyclopropylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one is CCn1cc(CC(=O)CNC2CC2)cn1.
What is the InChIKey of 1-(cyclopropylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one?
The InChIKey is OWQZUNQMJREUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-14-8-9(6-13-14)5-11(15)7-12-10-3-4-10/h6,8,10,12H,2-5,7H2,1H3.
What are the key properties of 1-(cyclopropylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one?
1-(cyclopropylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one is sourced from PubChem (CID 116555221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).